2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride

C15H14ClF3N2 — CID 12519123

IUPAC2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc21
InChIInChI=1S/C15H13F3N2.ClH/c16-15(17,18)11-5-6-14(12(19)9-11)20-8-7-10-3-1-2-4-13(10)20;/h1-6,9H,7-8,19H2;1H
InChIKeyJETFFSHQCLNMMA-UHFFFAOYSA-N
MW314.74 g/mol
LogP4.40
Rot. Bonds1

About 2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride

2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride (PubChem CID 12519123) has the molecular formula C15H14ClF3N2 and a molecular weight of 314.74 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride
PubChem CID12519123
Molecular FormulaC15H14ClF3N2
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride
SMILESCl.Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc21
InChIInChI=1S/C15H13F3N2.ClH/c16-15(17,18)11-5-6-14(12(19)9-11)20-8-7-10-3-1-2-4-13(10)20;/h1-6,9H,7-8,19H2;1H
InChIKeyJETFFSHQCLNMMA-UHFFFAOYSA-N
XLogP4.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride (CID 12519123) is 2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride is Cl.Nc1cc(C(F)(F)F)ccc1N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride?
The InChIKey is JETFFSHQCLNMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2.ClH/c16-15(17,18)11-5-6-14(12(19)9-11)20-8-7-10-3-1-2-4-13(10)20;/h1-6,9H,7-8,19H2;1H.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride?
2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride has a molecular weight of 314.74 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-5-(trifluoromethyl)aniline;hydrochloride is sourced from PubChem (CID 12519123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).